6-fluoro-8-methoxyquinoline

• ChemBase ID: 291473
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: COc1c2ncccc2cc(F)c1
• Canonical SMILES: COc1cc(F)cc2c1nccc2
• InChI: InChI=1S/C10H8FNO/c1-13-9-6-8(11)5-7-3-2-4-12-10(7)9/h2-6H,1H3
• InChIKey: IVYOPIDOROTJGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-8-methoxyquinoline
• IUPAC Traditional name: 6-fluoro-8-methoxyquinoline
• Synonyms: 6-Fluoro-8-methoxyquinoline

Database IDs

• CAS Number: 887769-92-8
• MDL Number: MFCD15143547
• PubChem SID: 180677004
• PubChem CID: 53216838

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 2.1157951
• LogD (pH = 7.4): 2.1159294
• Log P: 2.115931
• Molar Refractivity: 46.6589 cm^3
• Polarizability: 19.1096 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 95+%